Molecule card · MolClass #49546

24793836

24793836: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24793836Mitochondrial Fusion · compound_name
MolClass ID: 49546
InChIKey: CYWQJOZJOFXNFK-UHFFFAOYSA-N
Canonical SMILES: CC(C)(c1ccccc1)c2ccc(cc2)OCCN
Standard InChI: InChI=1S/C17H21NO/c1-17(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-13-12-18/h3-11H,12-13,18H2,1-2H3
Stored Murcko scaffold: c1ccc(cc1)Cc2ccccc2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.25 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 255.355 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.473; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24793836